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16498-85-4 | 3-Quinolinecarboxylic acid, 2-chloro-, methyl ester
CAS No: 16498-85-4 Catalog No: AG001V7D MDL No:MFCD06203870
Product Description
Catalog Number:
AG001V7D
Chemical Name:
3-Quinolinecarboxylic acid, 2-chloro-, methyl ester
CAS Number:
16498-85-4
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD06203870
IUPAC Name:
methyl 2-chloroquinoline-3-carboxylate
InChI:
InChI=1S/C11H8ClNO2/c1-15-11(14)8-6-7-4-2-3-5-9(7)13-10(8)12/h2-6H,1H3
InChI Key:
OVPJNOFBMQEIGW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2ccccc2nc1Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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